Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRILADENIPVVDAFFADQG--SIRRLPGRAIDRA----ALAEVDVLLVRSVTEVSRAALAGSP-VRFVGTCTIGTDHLDLDYFAEAGIAWSSAPGCNARGVVDYVLGCLLAMA-----------------------EVRGADLAERTYGVVGAGQVGGRLVEVLRGLGWKVLVCDPPRQAREPDGE-FVSLERLLAEADVISLHTPLNRDGEHPTRHLLDEPRLAALRPGTWLVNASRGAVVDNQALRRLLEGGADLEVALDVWEGEPQADPELAARCL------IATPHIAGYSLEGKLRGTAQIYQAYCAWRGIAERVSLQDVLPETWLAGLQLNPGCDPAWALATLCRAVYDPRSDDAAFRRSLTGDSATRRAAFDALRKHYPPRREITGLRVATGGQAELQRVVRALGAQLV |
3K5P Chain:A ((31-327)) | --------------YFKSSGYTNVTHLP-KALDKADLIKAISSAHIIGIRSRTQLTEEIFAAANRLIAVGCFSVGTNQVELKAARKRGIPVFNAPFSNTRSVAELVIGEIIMLMRRIFPRSVSAHAGGWEKTAIGSREVRG-----KTLGIVGYGNIGSQVGNLAESLGMTVRYYDTSDKLQYGNVKPAASLDELLKTSDVVSLHVP---------SKLITEAKLRKMKKGAFLINNARGSDVDLEALAKVLQEGHLAGAAIDVFPVEPASNGERFSTPLQGLENVILTPHIGGSTEEAQERIGTEVTRKLVEYSDVGSTVGAVNFPQVQLPPRPTGTRFMHVHENRPGILNSLMNVFSHHHINIASQFLQTDGEVGYLVMEADGVGEASDAVLQEIREIPGTIRARLLY------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3K5P.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -186179 for 1959 contacts (-95.0/contact) +
2D Compatibility (PS) -28303 + (NN) -16111 + (LL) 2044
1D Compatibility (HY) -17600 + (ID) 4000
Total energy: -250149.0 ( -127.69 by residue)
QMean score : 0.552
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